N-(4-ethoxyphenyl)-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(4-ethoxyphenyl)-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(4-ethoxyphenyl)-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | V028-0282 |
| Compound Name: | N-(4-ethoxyphenyl)-6,7-dimethoxy-1-({[(propan-2-yl)carbamothioyl]amino}methyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C25 H34 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOc1ccc(cc1)NC(N1CCc2cc(c(cc2C1CNC(NC(C)C)=S)OC)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.51 |
| logD: | 3.51 |
| logSw: | -3.7869 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.003 |
| InChI Key: | XSUGHARXTHBOLN-NRFANRHFSA-N |